K29
Summary
| Name: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
| Formula: | C21 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 378.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H18N2O3S/c24-18-9-15(8-12-7-14-3-1-2-4-16(14)22-10-12)19(13-5-6-13)20-23(18)17(11-27-20)21(25)26/h1-4,7,9-10,13,17H,5-6,8,11H2,(H,25,26)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | UNLLRJXHYGIZSR-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cnc5ccccc5c4 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cnc5ccccc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4C(CSC4=C3C5CC5)C(=O)O |
